Inorganic Solid Phases

H1.976K0.01Na0.132Ca1.774Mg4.43Mn0.02Fe0.594Al0.138Si7.952O24 (K0.05Na0.02Ca2Mg0.7Mn0.2Fe4.1Al0.02Si8O22.1[OH]1.9) Crystal Structure

General Information

  • Phase Label(s): K0.05Na0.02Ca2Mg0.7Mn0.2Fe4.1Al0.02Si8O22.1[OH]1.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): actinolite
  • Pearson Symbol: mS82
  • Space Group: 12
  • Phase Prototype: NaCa2Mg3(Mg0.5Al0.5)2(Al0.25Si0.75)8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1417 reflections; I > 3σ(I), R = 0.036; wR = 0.043
  • Sample Detail(s): actinolite sample from Austria, Tyrol, Zillertal, Greiner, chemical analysis; 57.50 wt.% SiO2, 0.85 wt.% Al2O3, 0.34 wt.% Fe2O3, 4.82 wt.% FeO, 21.49 wt.% MgO, 0.18 wt.% MnO, 11.97 wt.% CaO, 0.40 wt.% Na2O, 0.03 wt.% K2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.01Na0.1Ca1.8Mg4.4Mn0.02Fe0.6Al0.1Si8O22[OH]2
  • Alphabetic Formula: Al0.1Ca1.8Fe0.6K0.01Mg4.4Mn0.02Na0.1O22[OH]2Si8
  • Published Formula: H1.976K0.01Na0.132Ca1.774Mg4.43Mn0.02Fe0.594Al0.138Si7.952O24
  • Refined Formula: Al0.14Ca1.77Fe0.59H1.98K0.04Mg4.43Mn0.02Na0.10O24Si7.95
  • Wyckoff Sequence: 12,j7i3h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.03 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213417

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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